SCHEMBL4621041

SCHEMBL4621041

COC(=O)CCC1(C(=O)OC)CCc2cc(OC)ccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BACE1 P56817 1/20 0.42
PRNP P04156 1/20 0.41
RAB9A P51151 4/20 0.40
GLA P06280 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DGAT1 O75907 2/20 0.39
METAP1 P53582 2/20 0.39
NPC1 O15118 3/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11477738 0.76 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTATML3MBTL1
SCHEMBL13477053 0.76 SMN1; SMN2 (0.70) SMN1; SMN2KDM4EMAPTATML3MBTL1
SCHEMBL13477088 0.76 SMN1; SMN2 (0.70) SMN1; SMN2KDM4EMAPTATML3MBTL1
SCHEMBL28612103 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EMAPTATML3MBTL1
SCHEMBL14350861 0.73 BACE1 (0.44) KDM4EMAPTATML3MBTL1BACE1
SCHEMBL7832178 0.73 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPTPRNPRAB9A
SCHEMBL28351995 0.73 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EMAPTATML3MBTL1
SCHEMBL7169367 0.71 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTATML3MBTL1
SCHEMBL30475131 0.71 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTATML3MBTL1
SCHEMBL13477090 0.70 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTATML3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed
EP-0971878-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2000-01-19 EP disclosed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP SMN1; SMN2 12/4885KDM4E 3490/4885MAPT 22/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 SMN1; SMN2 574/4885KDM4E 2320/4885MAPT 486/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.